3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide

C19H20F3NO2 — CID 126836705

IUPAC3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)C(O)C(NC(=O)c1cccc(C(F)F)c1F)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-11(2)17(24)16(12-7-4-3-5-8-12)23-19(25)14-10-6-9-13(15(14)20)18(21)22/h3-11,16-18,24H,1-2H3,(H,23,25)
InChIKeyTZVIBMGNPPBLKC-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.25
Rot. Bonds6

About 3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide

3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide (PubChem CID 126836705) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide
PubChem CID126836705
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide
SMILESCC(C)C(O)C(NC(=O)c1cccc(C(F)F)c1F)c1ccccc1
InChIInChI=1S/C19H20F3NO2/c1-11(2)17(24)16(12-7-4-3-5-8-12)23-19(25)14-10-6-9-13(15(14)20)18(21)22/h3-11,16-18,24H,1-2H3,(H,23,25)
InChIKeyTZVIBMGNPPBLKC-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]benzamide
CID 9050935
3-[(2-chloro-3-fluorobenzoyl)amino]-2-methyl-3-phenylpropanoic acid
CID 75513392
ethane;2-hydroxy-N-[(2S)-2-[(2-hydroxybenzoyl)amino]-1,2-diphenylethyl]benzamide
CID 90876607
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886
1-[3-(difluoromethyl)-2-fluorophenyl]propan-1-one
CID 126971228
2-fluoro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048819
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide?
The IUPAC name of 3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide (CID 126836705) is 3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide.
What is the SMILES notation for 3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide?
The canonical SMILES for 3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide is CC(C)C(O)C(NC(=O)c1cccc(C(F)F)c1F)c1ccccc1.
What is the InChIKey of 3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide?
The InChIKey is TZVIBMGNPPBLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-11(2)17(24)16(12-7-4-3-5-8-12)23-19(25)14-10-6-9-13(15(14)20)18(21)22/h3-11,16-18,24H,1-2H3,(H,23,25).
What are the key properties of 3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide?
3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide has a molecular weight of 351.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-fluoro-N-(2-hydroxy-3-methyl-1-phenylbutyl)benzamide is sourced from PubChem (CID 126836705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).